2-(2-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride

• ChemBase ID: 278959
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: C1(CC1N)(c1c(F)cccc1)C.Cl
• Canonical SMILES: NC1CC1(C)c1ccccc1F.Cl
• InChI: InChI=1S/C10H12FN.ClH/c1-10(6-9(10)12)7-4-2-3-5-8(7)11;/h2-5,9H,6,12H2,1H3;1H
• InChIKey: FINMOHIMGNFEPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride
• Synonyms: 2-(2-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233559
• PubChem SID: 164334869
• PubChem CID: 54595057

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.08284
• LogD (pH = 7.4): 0.10841654
• Log P: 1.8595853
• Molar Refractivity: 46.3111 cm^3
• Polarizability: 18.060791 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 161 - 163°C
• Hydrophobicity(logP): 2.14

Product Information

• Purity: 95%